You can also use the online tools from MolInspiration (http://www.molinspiration.com/cgi-bin/properties) to calculate this property, but you might not like to send your structures out over the Internet unencrypted and to an external server.

My last suggestion would be to use DataWarrior (http://www.openmolecules.org/datawarrior/), a free data visualisation tool for drug discovery that allows for the calculation and interrogation of a number of molecular properties directly inside the application. For ease-of-use, I would recommend this option for most purposes, and the software also offers a great deal of additional features and functionality.

There are lots of tools out there to answer your question, but these would be my first places to start. Hope this helps, Nath.

Please sign in or register for FREE

Sign in to RxNet

Register to RxNet

RxNet is a communal space where industry and academic professionals can come together to discuss the latest research and developments, share thoughts and opinions, and build valuable international relationships.